2-[1,3-dioxo-6-(2-oxoethyl)-5,7-dihydropyrrolo[3,4-f]isoindol-2-yl]-N-methyl-5-oxopentanamide;methanol

C19H23N3O6 — CID 164924001

IUPAC2-[1,3-dioxo-6-(2-oxoethyl)-5,7-dihydropyrrolo[3,4-f]isoindol-2-yl]-N-methyl-5-oxopentanamide;methanol
SMILESCNC(=O)C(CCC=O)N1C(=O)c2cc3c(cc2C1=O)CN(CC=O)C3.CO
InChIInChI=1S/C18H19N3O5.CH4O/c1-19-16(24)15(3-2-5-22)21-17(25)13-7-11-9-20(4-6-23)10-12(11)8-14(13)18(21)26;1-2/h5-8,15H,2-4,9-10H2,1H3,(H,19,24);2H,1H3
InChIKeyOZLGLTFZGNPGNX-UHFFFAOYSA-N
MW389.41 g/mol
LogP-0.50
Rot. Bonds7

About 2-[1,3-dioxo-6-(2-oxoethyl)-5,7-dihydropyrrolo[3,4-f]isoindol-2-yl]-N-methyl-5-oxopentanamide;methanol

2-[1,3-dioxo-6-(2-oxoethyl)-5,7-dihydropyrrolo[3,4-f]isoindol-2-yl]-N-methyl-5-oxopentanamide;methanol (PubChem CID 164924001) has the molecular formula C19H23N3O6 and a molecular weight of 389.41 g/mol. Its IUPAC name is 2-[1,3-dioxo-6-(2-oxoethyl)-5,7-dihydropyrrolo[3,4-f]isoindol-2-yl]-N-methyl-5-oxopentanamide;methanol.

Molecular Properties

Compound Name2-[1,3-dioxo-6-(2-oxoethyl)-5,7-dihydropyrrolo[3,4-f]isoindol-2-yl]-N-methyl-5-oxopentanamide;methanol
PubChem CID164924001
Molecular FormulaC19H23N3O6
Molecular Weight389.41 g/mol
Exact Mass389.16
IUPAC Name2-[1,3-dioxo-6-(2-oxoethyl)-5,7-dihydropyrrolo[3,4-f]isoindol-2-yl]-N-methyl-5-oxopentanamide;methanol
SMILESCNC(=O)C(CCC=O)N1C(=O)c2cc3c(cc2C1=O)CN(CC=O)C3.CO
InChIInChI=1S/C18H19N3O5.CH4O/c1-19-16(24)15(3-2-5-22)21-17(25)13-7-11-9-20(4-6-23)10-12(11)8-14(13)18(21)26;1-2/h5-8,15H,2-4,9-10H2,1H3,(H,19,24);2H,1H3
InChIKeyOZLGLTFZGNPGNX-UHFFFAOYSA-N
XLogP-0.50
TPSA124.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1,3-dioxo-6-(2-oxoethyl)-5,7-dihydropyrrolo[3,4-f]isoindol-2-yl]-N-methyl-5-oxopentanamide;methanol?
The IUPAC name of 2-[1,3-dioxo-6-(2-oxoethyl)-5,7-dihydropyrrolo[3,4-f]isoindol-2-yl]-N-methyl-5-oxopentanamide;methanol (CID 164924001) is 2-[1,3-dioxo-6-(2-oxoethyl)-5,7-dihydropyrrolo[3,4-f]isoindol-2-yl]-N-methyl-5-oxopentanamide;methanol.
What is the SMILES notation for 2-[1,3-dioxo-6-(2-oxoethyl)-5,7-dihydropyrrolo[3,4-f]isoindol-2-yl]-N-methyl-5-oxopentanamide;methanol?
The canonical SMILES for 2-[1,3-dioxo-6-(2-oxoethyl)-5,7-dihydropyrrolo[3,4-f]isoindol-2-yl]-N-methyl-5-oxopentanamide;methanol is CNC(=O)C(CCC=O)N1C(=O)c2cc3c(cc2C1=O)CN(CC=O)C3.CO.
What is the InChIKey of 2-[1,3-dioxo-6-(2-oxoethyl)-5,7-dihydropyrrolo[3,4-f]isoindol-2-yl]-N-methyl-5-oxopentanamide;methanol?
The InChIKey is OZLGLTFZGNPGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O5.CH4O/c1-19-16(24)15(3-2-5-22)21-17(25)13-7-11-9-20(4-6-23)10-12(11)8-14(13)18(21)26;1-2/h5-8,15H,2-4,9-10H2,1H3,(H,19,24);2H,1H3.
What are the key properties of 2-[1,3-dioxo-6-(2-oxoethyl)-5,7-dihydropyrrolo[3,4-f]isoindol-2-yl]-N-methyl-5-oxopentanamide;methanol?
2-[1,3-dioxo-6-(2-oxoethyl)-5,7-dihydropyrrolo[3,4-f]isoindol-2-yl]-N-methyl-5-oxopentanamide;methanol has a molecular weight of 389.41 g/mol, XLogP of -0.50, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,3-dioxo-6-(2-oxoethyl)-5,7-dihydropyrrolo[3,4-f]isoindol-2-yl]-N-methyl-5-oxopentanamide;methanol is sourced from PubChem (CID 164924001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).